SCHEMBL318734

SCHEMBL318734

COC(=O)Cn1c(C)c(-c2ccnc3cc(Cl)ccc23)c2cc(Cl)ccc21

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.72
PTGS1 P23219 3/20 0.71
KRAS P01116 4/20 0.50
PRNP P04156 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
SLC6A4 P31645 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL318332 0.88 PTGDR2 (0.90) PTGDR2PTGS1CYP2C19CYP2C9SLC6A4
SCHEMBL316839 0.84 PTGDR2 (0.65) PTGDR2PTGS1KRASCYP2C19CYP2C9
SCHEMBL318105 0.83 PTGDR2 (0.61) PTGDR2PTGS1KRASPRNPPOLB
SCHEMBL318388 0.82 PTGDR2 (0.83) PTGDR2PTGS1CYP2C19CYP2C9SLC6A4
SCHEMBL317806 0.82 PTGDR2 (0.59) PTGDR2PTGS1KRASPRNPPOLB
SCHEMBL6247326 0.82 PTGDR2 (0.59) PTGDR2PTGS1KRASCYP2C19CYP2C9
SCHEMBL318694 0.82 PTGDR2 (0.81) PTGDR2PTGS1CYP2C19CYP2C9SLC6A4
SCHEMBL316988 0.81 PTGDR2 (0.61) PTGDR2PTGS1KRASPOLBRXFP1
SCHEMBL317810 0.81 PTGDR2 (0.76) PTGDR2PTGS1CYP2C19CYP2C9SLC6A4
SCHEMBL317473 0.80 PTGDR2 (0.70) PTGDR2PTGS1PRNPRXFP1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 PTGDR2 429/4885PTGS1 413/4885KRAS 3021/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 PTGDR2 54/4885PTGS1 191/4885KRAS 2004/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.